CAS 3020713-53-2 is the registry number for SARS-CoV-2 Mpro-IN-44. Offered by: MedChemExpress. Available pack sizes: Get quote.
5-[4-chloro-2-[[6-[(6-chloro-2-methylindazol-5-yl)amino]-2,4-dioxo-3-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3,5-triazin-1-yl]methyl]-5-fluorophenoxy]thiophene-2-carbonitrile (CAS 3020713-53-2) is a chemical compound with the molecular formula C29H19Cl2FN8O4S and a molecular weight of 665.5 g/mol. IUPAC name: 5-[4-chloro-2-[[6-[(6-chloro-2-methylindazol-5-yl)amino]-2,4-dioxo-3-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3,5-triazin-1-yl]methyl]-5-fluorophenoxy]thiophene-2-carbonitrile. InChIKey: CROHOMNQSCTALI-UHFFFAOYSA-N.
| Molecular formula | C29H19Cl2FN8O4S |
|---|---|
| Molecular weight | 665.5 g/mol |
| IUPAC name | 5-[4-chloro-2-[[6-[(6-chloro-2-methylindazol-5-yl)amino]-2,4-dioxo-3-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3,5-triazin-1-yl]methyl]-5-fluorophenoxy]thiophene-2-carbonitrile |
| InChIKey | CROHOMNQSCTALI-UHFFFAOYSA-N |
| SMILES | CN1C=C2C=C(C(=CC2=N1)Cl)NC3=NC(=O)N(C(=O)N3CC4=CC(=C(C=C4OC5=CC=C(S5)C#N)F)Cl)CC6=CC=CNC6=O |
Computed by PubChem (NCBI)